These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
112 related articles for article (PubMed ID: 36601892)
1. Computational design of prospective molecular targets for Burkholderia cepacia complex by molecular docking and dynamic simulation studies. Skariyachan S; Praveen PKU; Uttarkar A; Niranjan V Proteins; 2023 Jun; 91(6):724-738. PubMed ID: 36601892 [TBL] [Abstract][Full Text] [Related]
2. Carboxymuconolactone decarboxylase is a prospective molecular target for multi-drug resistant Acinetobacter baumannii-computational modeling, molecular docking and dynamic simulation studies. Rana S; Skariyachan S; Uttarkar A; Niranjan V Comput Biol Med; 2023 May; 157():106793. PubMed ID: 36944292 [TBL] [Abstract][Full Text] [Related]
3. Response regulator GacA and transcriptional activator RhlR proteins involved in biofilm formation of Pseudomonas aeruginosa are prospective targets for natural lead molecules: Computational modelling, molecular docking and dynamic simulation studies. Skariyachan S; Ravishankar R; Gopal D; Muddebihalkar AG; Uttarkar A; Praveen PKU; Niranjan V Infect Genet Evol; 2020 Nov; 85():104448. PubMed ID: 32622078 [TBL] [Abstract][Full Text] [Related]
4. Structural insights on the interaction potential of natural leads against major protein targets of SARS-CoV-2: Molecular modelling, docking and dynamic simulation studies. Skariyachan S; Gopal D; Muddebihalkar AG; Uttarkar A; Niranjan V Comput Biol Med; 2021 May; 132():104325. PubMed ID: 33751995 [TBL] [Abstract][Full Text] [Related]
5. BRCA1/TP53 tumor proteins inhibited by novel analogues of curcumin - Insight from computational modelling, dynamic simulation and experimental validation. Aloor LJ; Skariyachan S; Raghavamenon AC; Kumar KM; Narayanappa R; Uttarkar A; Niranjan V; Cherian T Int J Biol Macromol; 2023 Dec; 253(Pt 4):126989. PubMed ID: 37739292 [TBL] [Abstract][Full Text] [Related]
6. Carbon fullerene acts as potential lead molecule against prospective molecular targets of biofilm-producing multidrug-resistant Skariyachan S; Gopal D; Kadam SP; Muddebihalkar AG; Uttarkar A; Niranjan V J Biomol Struct Dyn; 2021 Feb; 39(3):1121-1137. PubMed ID: 32036742 [TBL] [Abstract][Full Text] [Related]
7. Carbon fullerene and nanotube are probable binders to multiple targets of SARS-CoV-2: Insights from computational modeling and molecular dynamic simulation studies. Skariyachan S; Gopal D; Deshpande D; Joshi A; Uttarkar A; Niranjan V Infect Genet Evol; 2021 Dec; 96():105155. PubMed ID: 34823028 [TBL] [Abstract][Full Text] [Related]
8. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations. Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817 [TBL] [Abstract][Full Text] [Related]
9. Development of Effective Therapeutic Molecule from Natural Sources against Coronavirus Protease. Fadaka AO; Sibuyi NRS; Martin DR; Klein A; Madiehe A; Meyer M Int J Mol Sci; 2021 Aug; 22(17):. PubMed ID: 34502340 [TBL] [Abstract][Full Text] [Related]
10. Deciphering effectual binding potential of xylo-substrates towards xylose isomerase and xylokinase through molecular docking and molecular dynamic simulation. Skariyachan S; Khangwal I; Niranjan V; Kango N; Shukla P J Biomol Struct Dyn; 2021 Jul; 39(11):3948-3957. PubMed ID: 32508225 [TBL] [Abstract][Full Text] [Related]
11. Subtractive sequence analysis aided druggable targets mining in Burkholderia cepacia complex and finding inhibitors through bioinformatics approach. Hassan SS; Shams R; Camps I; Basharat Z; Sohail S; Khan Y; Ullah A; Irfan M; Ali J; Bilal M; Morel CM Mol Divers; 2023 Dec; 27(6):2823-2847. PubMed ID: 36567421 [TBL] [Abstract][Full Text] [Related]
12. Screening of potential lead molecules against prioritised targets of multi-drug-resistant-Acinetobacter baumannii - insights from molecular docking, molecular dynamic simulations and in vitro assays. Skariyachan S; Manjunath M; Bachappanavar N J Biomol Struct Dyn; 2019 Mar; 37(5):1146-1169. PubMed ID: 29529934 [TBL] [Abstract][Full Text] [Related]
13. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine. Chaudhari HK; Pahelkar A Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898 [TBL] [Abstract][Full Text] [Related]
14. Identification of novel inhibitors against hantaviruses through 2D fingerprinting and molecular modeling approaches. Alshammari A Front Immunol; 2023; 14():1113321. PubMed ID: 36845113 [TBL] [Abstract][Full Text] [Related]
15. Understanding the Xylooligosaccharides Utilization Mechanism of Lactobacillus brevis and Bifidobacterium adolescentis: Proteins Involved and Their Conformational Stabilities for Effectual Binding. Khangwal I; Skariyachan S; Uttarkar A; Muddebihalkar AG; Niranjan V; Shukla P Mol Biotechnol; 2022 Jan; 64(1):75-89. PubMed ID: 34542815 [TBL] [Abstract][Full Text] [Related]
16. Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study. Kumer A; Chakma U; Rana MM; Chandro A; Akash S; Elseehy MM; Albogami S; El-Shehawi AM Molecules; 2022 Jun; 27(12):. PubMed ID: 35744817 [TBL] [Abstract][Full Text] [Related]
17. Mitogen activated protein kinase-1 and cell division control protein-42 are putative targets for the binding of novel natural lead molecules: a therapeutic intervention against Gopal D; Muddebihalkar AG; Skariyachan S; C AU; Kaveramma P; Praveen U; Shankar RR; Venkatesan T; Niranjan V J Biomol Struct Dyn; 2020 Sep; 38(15):4584-4599. PubMed ID: 31625462 [No Abstract] [Full Text] [Related]
18. High throughput virtual screening and molecular dynamics simulation analysis of phytomolecules against BfmR of Lokhande KB; Pawar SV; Madkaiker S; Nawani N; Venkateswara SK; Ghosh P J Biomol Struct Dyn; 2023 Apr; 41(7):2698-2712. PubMed ID: 35156902 [No Abstract] [Full Text] [Related]
19. Homology modeling and molecular dynamic simulation of UDP-N-acetylmuramoyl-l-alanine-d-glutamate ligase (MurD) from Mycobacterium tuberculosis H37Rv using in silico approach. Isa MA Comput Biol Chem; 2019 Feb; 78():116-126. PubMed ID: 30504089 [TBL] [Abstract][Full Text] [Related]
20. Structure based virtual screening, 3D-QSAR, molecular dynamics and ADMET studies for selection of natural inhibitors against structural and non-structural targets of Chikungunya. Vora J; Patel S; Sinha S; Sharma S; Srivastava A; Chhabria M; Shrivastava N J Biomol Struct Dyn; 2019 Aug; 37(12):3150-3161. PubMed ID: 30114965 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]